[gmx-users] energy group exclusion

David L. Bostick dbostick at physics.unc.edu
Wed Jan 15 19:56:18 CET 2003

Does the option

energygrp_excl = group1 group2

in the mdp file force mdrun to exclude the calculation of nonbonded force
on group1 due to group2 (and vice versa)?  It would make sense that it
does, since force = -grad(energy) but these may be calculated separately by mdrun.
However, I just want to be sure.


David Bostick					Office: 262 Venable Hall
Dept. of Physics and Astronomy			Phone:  (919)962-0165
Program in Molecular and Cellular Biophysics
UNC-Chapel Hill
CB #3255 Phillips Hall				dbostick at physics.unc.edu
Chapel Hill, NC 27599	           		http://www.unc.edu/~dbostick

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